5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide

C21H17BrF2N2O3 — CID 46491324

IUPAC5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCC(NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H17BrF2N2O3/c1-12(14-4-7-16(23)17(24)11-14)25-20(27)10-13-2-5-15(6-3-13)26-21(28)18-8-9-19(22)29-18/h2-9,11-12H,10H2,1H3,(H,25,27)(H,26,28)
InChIKeyPYJIQKDHXBXKDY-UHFFFAOYSA-N
MW463.28 g/mol
LogP4.99
Rot. Bonds6

About 5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide (PubChem CID 46491324) has the molecular formula C21H17BrF2N2O3 and a molecular weight of 463.28 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
PubChem CID46491324
Molecular FormulaC21H17BrF2N2O3
Molecular Weight463.28 g/mol
Exact Mass462.04
IUPAC Name5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCC(NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H17BrF2N2O3/c1-12(14-4-7-16(23)17(24)11-14)25-20(27)10-13-2-5-15(6-3-13)26-21(28)18-8-9-19(22)29-18/h2-9,11-12H,10H2,1H3,(H,25,27)(H,26,28)
InChIKeyPYJIQKDHXBXKDY-UHFFFAOYSA-N
XLogP4.99
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.28
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46488303
5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 60513275
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide
CID 95624398
5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide
CID 55991446
2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 78808643
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 18084334
5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide
CID 17105146
5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide
CID 110792846
5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 26560592

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide (CID 46491324) is 5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide is CC(NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The InChIKey is PYJIQKDHXBXKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrF2N2O3/c1-12(14-4-7-16(23)17(24)11-14)25-20(27)10-13-2-5-15(6-3-13)26-21(28)18-8-9-19(22)29-18/h2-9,11-12H,10H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide has a molecular weight of 463.28 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46491324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).